10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol

C46H30O2 — CID 163725515

IUPAC10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
SMILESOc1c2ccccc2c(-c2ccc3oc4c(-c5c6c(c(-c7ccccc7)c7ccccc57)CCC=C6)cccc4c3c2)c2ccccc12
InChIInChI=1S/C46H30O2/c47-45-36-21-10-8-19-34(36)43(35-20-9-11-22-37(35)45)29-25-26-41-40(27-29)38-23-12-24-39(46(38)48-41)44-32-17-6-4-15-30(32)42(28-13-2-1-3-14-28)31-16-5-7-18-33(31)44/h1-4,6-15,17-27,47H,5,16H2
InChIKeyKVFKPFFNKVASTL-UHFFFAOYSA-N
MW614.74 g/mol
LogP12.71
Rot. Bonds3

About 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol

10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol (PubChem CID 163725515) has the molecular formula C46H30O2 and a molecular weight of 614.74 g/mol. Its IUPAC name is 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol.

Molecular Properties

Compound Name10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
PubChem CID163725515
Molecular FormulaC46H30O2
Molecular Weight614.74 g/mol
Exact Mass614.22
IUPAC Name10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
SMILESOc1c2ccccc2c(-c2ccc3oc4c(-c5c6c(c(-c7ccccc7)c7ccccc57)CCC=C6)cccc4c3c2)c2ccccc12
InChIInChI=1S/C46H30O2/c47-45-36-21-10-8-19-34(36)43(35-20-9-11-22-37(35)45)29-25-26-41-40(27-29)38-23-12-24-39(46(38)48-41)44-32-17-6-4-15-30(32)42(28-13-2-1-3-14-28)31-16-5-7-18-33(31)44/h1-4,6-15,17-27,47H,5,16H2
InChIKeyKVFKPFFNKVASTL-UHFFFAOYSA-N
XLogP12.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(10-phenyl-1,2-dihydroanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 174288134
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
CID 174139082
CID 174139082
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
CID 145295470
9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163557870
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline
CID 170229367
2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743573

Frequently Asked Questions

What is the IUPAC name of 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol?
The IUPAC name of 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol (CID 163725515) is 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol.
What is the SMILES notation for 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol?
The canonical SMILES for 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol is Oc1c2ccccc2c(-c2ccc3oc4c(-c5c6c(c(-c7ccccc7)c7ccccc57)CCC=C6)cccc4c3c2)c2ccccc12.
What is the InChIKey of 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol?
The InChIKey is KVFKPFFNKVASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30O2/c47-45-36-21-10-8-19-34(36)43(35-20-9-11-22-37(35)45)29-25-26-41-40(27-29)38-23-12-24-39(46(38)48-41)44-32-17-6-4-15-30(32)42(28-13-2-1-3-14-28)31-16-5-7-18-33(31)44/h1-4,6-15,17-27,47H,5,16H2.
What are the key properties of 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol?
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol has a molecular weight of 614.74 g/mol, XLogP of 12.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol is sourced from PubChem (CID 163725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).